#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oum s THR 2 N 0.00 2.49 0.55 0.00 -4.23 -0.72 -4.99 115.64 108.73 1oum s THR 2 Ca 0.00 -1.51 0.29 0.00 -1.18 0.00 0.00 61.69 59.29 1oum s THR 2 Cb 0.00 -3.00 0.44 0.00 1.34 0.00 0.00 72.50 71.28 1oum s THR 2 CO 0.00 0.00 1.92 -0.65 -0.54 0.00 0.00 174.62 175.35 1oum h PRO 3 N 1.22 0.00 0.00 3.99 0.11 -2.02 -3.07 132.00 132.23 1oum h PRO 3 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1oum h PRO 3 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1oum h PRO 3 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 1oum n HIS 4 N -4.18 0.00 -3.97 0.65 8.25 -1.26 -4.97 115.22 109.74 1oum n HIS 4 Ca 0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.29 1oum n HIS 4 Cb 0.79 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.74 1oum n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1oum s ILE 5 N -0.30 1.63 -1.27 1.59 -1.09 -1.16 -4.78 121.20 115.81 1oum s ILE 5 Ca 0.00 -1.20 -0.12 0.00 -2.23 0.00 0.00 60.65 57.10 1oum s ILE 5 Cb 0.00 -1.82 0.15 0.00 -1.58 0.00 0.00 42.46 39.21 1oum s ILE 5 CO 0.00 -0.01 1.73 -3.20 -1.23 0.00 0.00 174.94 172.23 1oum n ASN 6 N 4.65 5.02 -3.11 3.58 5.15 -1.26 -1.76 115.26 127.53 1oum n ASN 6 Ca -0.13 -3.02 -0.13 0.00 -0.60 0.00 0.00 54.58 50.70 1oum n ASN 6 Cb 0.45 -1.55 -0.02 0.00 -0.53 0.00 0.00 39.78 38.12 1oum n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oum s ALA 7 N 1.41 0.28 0.22 5.20 0.00 -1.26 -4.64 121.76 122.97 1oum s ALA 7 Ca 0.43 -1.27 0.08 0.00 0.00 0.00 0.00 51.96 51.19 1oum s ALA 7 Cb 0.05 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 1oum s ALA 7 CO 0.00 -0.86 -0.13 -1.21 0.00 0.00 0.00 175.76 173.57 1oum s GLU 8 N -2.77 1.37 -0.02 0.00 0.41 -1.26 -0.94 118.70 115.49 1oum s GLU 8 Ca 0.25 -1.63 -0.35 0.00 -0.41 0.00 0.00 54.97 52.83 1oum s GLU 8 Cb -0.02 -1.13 -0.14 0.00 -1.78 0.00 0.00 34.13 31.07 1oum s GLU 8 CO 0.18 0.16 1.70 -0.12 -0.49 0.00 0.00 175.26 176.69 1oum n MET 9 N -0.42 1.88 0.00 1.61 0.00 -1.26 -0.97 117.12 117.96 1oum n MET 9 Ca -0.07 0.68 0.00 0.00 -0.00 0.00 0.00 57.70 58.31 1oum n MET 9 Cb 0.61 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 31.37 1oum n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1oum n GLY 10 N 3.85 2.38 0.25 -5.12 0.00 -1.26 -4.94 105.19 100.35 1oum n GLY 10 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1oum n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oum h ASP 11 N 0.33 0.43 -3.13 1.61 5.19 -1.42 -3.43 116.42 116.00 1oum h ASP 11 Ca 0.00 -0.10 -0.64 0.00 -0.62 0.00 0.00 57.03 55.67 1oum h ASP 11 Cb 0.00 -0.12 -0.09 0.00 0.18 0.00 0.00 39.33 39.31 1oum h ASP 11 CO 0.00 0.58 -0.58 -0.36 -3.12 0.00 0.00 179.24 175.76 1oum s PHE 12 N -4.77 3.25 0.90 4.55 0.40 -1.26 -4.76 117.98 116.29 1oum s PHE 12 Ca -0.07 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 1oum s PHE 12 Cb 0.15 -1.67 0.13 0.00 0.51 0.00 0.00 43.02 42.15 1oum s PHE 12 CO 0.77 0.54 1.15 0.00 0.70 0.00 0.00 175.22 178.38 1oum s ALA 13 N -1.35 1.92 -0.74 5.36 0.00 -1.26 -4.93 121.76 120.75 1oum s ALA 13 Ca 0.28 -0.59 0.21 0.00 0.00 0.00 0.00 51.96 51.86 1oum s ALA 13 Cb -0.12 -3.00 0.85 0.00 0.00 0.00 0.00 23.12 20.85 1oum s ALA 13 CO 0.21 -2.22 1.65 -0.40 0.00 0.00 0.00 175.76 174.99 1oum n ASP 14 N -3.71 0.38 -4.20 0.00 5.75 -1.26 -4.59 116.55 108.92 1oum n ASP 14 Ca 0.07 0.58 -0.32 0.00 -0.01 0.00 0.00 54.79 55.11 1oum n ASP 14 Cb 0.60 -0.67 -0.17 0.00 -1.03 0.00 0.00 41.12 39.85 1oum n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1oum s VAL 15 N -3.15 2.07 -0.11 2.12 1.01 -1.26 -0.79 120.40 120.29 1oum s VAL 15 Ca 0.07 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1oum s VAL 15 Cb 0.11 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1oum s VAL 15 CO 0.38 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 175.20 1oum s VAL 16 N 0.55 1.48 -0.14 2.92 1.01 -0.09 -1.98 120.40 124.15 1oum s VAL 16 Ca -0.14 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1oum s VAL 16 Cb -0.17 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1oum s VAL 16 CO 0.04 0.44 0.44 -0.76 0.00 0.00 0.00 175.10 175.25 1oum s LEU 17 N 1.02 4.24 -0.29 3.92 1.02 -0.04 -0.71 118.68 127.84 1oum s LEU 17 Ca -0.06 0.71 0.02 0.00 0.02 0.00 0.00 54.13 54.82 1oum s LEU 17 Cb -0.15 -2.61 0.07 0.00 0.02 0.00 0.00 46.19 43.52 1oum s LEU 17 CO -0.02 -0.01 -0.05 -0.04 0.02 0.00 0.00 176.35 176.25 1oum s MET 18 N 0.76 2.13 0.22 1.70 -1.94 0.92 -1.34 119.30 121.75 1oum s MET 18 Ca 0.23 -1.45 -0.30 0.00 -1.71 0.00 0.00 55.69 52.46 1oum s MET 18 Cb -0.15 -3.02 -0.10 0.00 2.01 0.00 0.00 34.83 33.58 1oum s MET 18 CO 0.09 -0.66 1.46 -2.14 -0.01 0.00 0.00 175.02 173.76 1oum s PRO 19 N 1.09 4.26 0.87 2.03 0.02 -1.26 -1.33 135.00 140.69 1oum s PRO 19 Ca -0.04 2.29 -0.12 0.00 0.02 0.00 0.00 61.00 63.15 1oum s PRO 19 Cb -0.20 -3.13 0.12 0.00 0.02 0.00 0.00 34.50 31.31 1oum s PRO 19 CO -0.05 -0.46 1.16 0.20 -0.33 0.00 0.00 177.00 177.52 1oum s GLY 20 N 0.60 1.59 -0.09 0.52 0.00 0.44 -3.81 107.32 106.57 1oum s GLY 20 Ca 0.62 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 1oum s GLY 20 CO 0.39 -0.07 1.80 -0.35 0.00 0.00 0.00 173.10 174.87 1oum s ASP 21 N -4.31 6.38 0.00 1.64 2.15 -1.26 -2.82 116.67 118.45 1oum s ASP 21 Ca 0.64 2.16 0.00 0.00 0.43 0.00 0.00 52.55 55.78 1oum s ASP 21 Cb -0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1oum s ASP 21 CO 0.51 -1.18 0.00 -2.65 -0.17 0.00 0.00 175.17 171.69 1oum n PRO 22 N 7.58 0.00 -1.42 4.34 -0.02 -1.26 -4.27 135.00 139.95 1oum n PRO 22 Ca 0.20 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1oum n PRO 22 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.92 1oum n PRO 22 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oum n LEU 23 N 0.00 -0.53 -4.60 2.45 4.77 -1.13 -4.97 117.00 113.00 1oum n LEU 23 Ca 0.00 0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 56.48 1oum n LEU 23 Cb 0.00 -1.07 -0.11 0.00 -2.33 0.00 0.00 43.42 39.91 1oum n LEU 23 CO 0.00 -3.26 -0.37 -0.13 -1.33 0.00 0.00 177.39 172.30 1oum s ARG 24 N -1.56 2.73 0.21 3.23 0.52 -1.26 -4.49 118.95 118.32 1oum s ARG 24 Ca 0.63 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 55.18 1oum s ARG 24 Cb -0.56 -2.59 0.15 0.00 0.52 0.00 0.00 34.95 32.47 1oum s ARG 24 CO 0.59 0.65 1.80 0.00 0.02 0.00 0.00 175.30 178.36 1oum h ALA 25 N 5.05 0.99 -0.59 2.13 0.00 -1.93 -2.27 119.26 122.63 1oum h ALA 25 Ca -0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1oum h ALA 25 Cb 1.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1oum h ALA 25 CO 0.53 0.55 0.28 -0.22 0.00 0.00 0.00 179.25 180.39 1oum h LYS 26 N 1.08 0.84 -0.08 0.00 3.64 -1.93 -1.05 116.57 119.07 1oum h LYS 26 Ca 0.26 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1oum h LYS 26 Cb 0.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1oum h LYS 26 CO -0.03 0.65 0.00 -0.92 -2.27 0.00 0.00 179.45 176.88 1oum h TYR 27 N 0.84 0.14 -0.25 1.91 5.03 -1.88 -2.04 116.97 120.72 1oum h TYR 27 Ca 0.21 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.52 1oum h TYR 27 Cb 0.10 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 1oum h TYR 27 CO 0.01 0.39 0.07 0.82 -1.32 0.00 0.00 178.16 178.13 1oum h ILE 28 N -0.15 0.92 -0.47 1.81 1.08 -1.09 -0.78 117.51 118.83 1oum h ILE 28 Ca 0.02 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1oum h ILE 28 Cb 0.33 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1oum h ILE 28 CO 0.00 0.03 0.30 0.00 -0.69 0.00 0.00 178.15 177.79 1oum h ALA 29 N 1.16 0.60 0.00 1.87 0.00 -1.19 0.17 119.26 121.88 1oum h ALA 29 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1oum h ALA 29 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1oum h ALA 29 CO -0.12 0.08 -0.08 1.05 0.00 0.00 0.00 179.25 180.18 1oum h GLU 30 N 0.64 0.00 0.00 0.00 4.11 -1.23 -2.55 114.58 115.55 1oum h GLU 30 Ca 0.17 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.23 1oum h GLU 30 Cb -0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 1oum h GLU 30 CO -0.03 0.00 -2.40 2.41 0.07 0.00 0.00 179.01 179.05 1oum n THR 31 N -2.33 1.41 0.04 -1.06 -1.04 -0.31 -4.74 114.28 106.25 1oum n THR 31 Ca 0.05 -0.76 0.03 0.00 -2.04 0.00 0.00 64.05 61.34 1oum n THR 31 Cb 0.44 -0.78 -0.05 0.00 -1.82 0.00 0.00 70.33 68.13 1oum n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1oum n PHE 32 N -2.91 0.00 -4.08 -1.42 3.01 0.58 -5.04 117.46 107.60 1oum n PHE 32 Ca -0.37 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 57.81 1oum n PHE 32 Cb 1.10 -0.12 -0.06 0.00 -0.01 0.00 0.00 39.48 40.39 1oum n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1oum s LEU 33 N -3.25 3.74 0.08 4.37 1.43 -0.96 -4.71 118.68 119.39 1oum s LEU 33 Ca -0.02 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1oum s LEU 33 Cb 0.04 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1oum s LEU 33 CO 0.26 0.12 -0.05 -1.61 0.23 0.00 0.00 176.35 175.30 1oum s GLU 34 N -2.74 2.40 -1.46 1.70 2.02 -0.26 -4.60 118.70 115.75 1oum s GLU 34 Ca 0.30 -0.88 -0.08 0.00 0.02 0.00 0.00 54.97 54.32 1oum s GLU 34 Cb -0.11 -2.45 0.04 0.00 0.10 0.00 0.00 34.13 31.71 1oum s GLU 34 CO 0.22 0.54 0.77 -0.25 0.02 0.00 0.00 175.26 176.56 1oum n ASP 35 N 0.79 -5.40 -4.76 -0.19 10.43 -1.26 -2.17 116.55 113.98 1oum n ASP 35 Ca -0.13 -0.46 -0.41 0.00 2.57 0.00 0.00 54.79 56.37 1oum n ASP 35 Cb 0.52 -4.34 -0.03 0.00 1.84 0.00 0.00 41.12 39.11 1oum n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1oum s ALA 36 N -3.18 3.46 0.05 2.24 0.00 -1.26 -4.63 121.76 118.44 1oum s ALA 36 Ca 0.46 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.58 1oum s ALA 36 Cb -0.22 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1oum s ALA 36 CO 0.56 -0.43 -0.19 -0.98 0.00 0.00 0.00 175.76 174.73 1oum s ARG 37 N -1.57 1.20 -0.09 0.00 1.70 -0.77 -4.95 118.95 114.48 1oum s ARG 37 Ca 0.47 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 1oum s ARG 37 Cb -0.36 -1.31 -0.02 0.00 -0.57 0.00 0.00 34.95 32.69 1oum s ARG 37 CO 0.47 0.33 1.08 -2.00 -1.08 0.00 0.00 175.30 174.10 1oum s GLU 38 N -1.28 4.39 0.00 3.89 2.12 -1.26 -1.96 118.70 124.60 1oum s GLU 38 Ca 0.05 1.50 0.06 0.00 0.36 0.00 0.00 54.97 56.94 1oum s GLU 38 Cb -0.09 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 1oum s GLU 38 CO 0.02 -0.37 0.30 1.33 -0.54 0.00 0.00 175.26 176.00 1oum n VAL 39 N 4.58 0.00 -3.71 3.70 0.24 -0.15 -4.98 118.33 118.02 1oum n VAL 39 Ca 0.10 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1oum n VAL 39 Cb 0.48 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 1oum n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1oum s ASN 40 N -1.51 -0.33 0.00 -1.34 3.84 -1.19 -4.41 114.94 110.00 1oum s ASN 40 Ca 0.03 0.35 0.00 0.00 0.21 0.00 0.00 52.86 53.45 1oum s ASN 40 Cb 0.05 0.46 0.00 0.00 -0.55 0.00 0.00 41.25 41.21 1oum s ASN 40 CO 0.24 -0.43 0.00 -0.46 -2.79 0.00 0.00 177.10 173.67 1oum n ASN 41 N 1.49 0.00 -4.61 -4.21 6.94 -1.26 -1.68 115.26 111.92 1oum n ASN 41 Ca -0.20 -0.33 -0.51 0.00 -0.02 0.00 0.00 54.58 53.53 1oum n ASN 41 Cb 0.56 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 1oum n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1oum n VAL 42 N 0.00 0.03 -2.01 3.53 0.31 -1.26 -0.50 118.33 118.43 1oum n VAL 42 Ca 0.00 -0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.15 1oum n VAL 42 Cb 0.08 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 31.97 1oum n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1oum n ARG 43 N 2.92 -1.67 -1.25 5.55 3.00 -1.26 -0.90 116.66 123.04 1oum n ARG 43 Ca 0.19 0.93 -0.09 0.00 -0.01 0.00 0.00 57.85 58.87 1oum n ARG 43 Cb 0.21 -5.43 -0.04 0.00 0.00 0.00 0.00 32.46 27.20 1oum n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1oum n GLY 44 N -0.66 0.95 2.85 -0.13 0.00 0.35 -4.88 105.19 103.67 1oum n GLY 44 Ca -0.19 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1oum n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1oum n MET 45 N -1.57 3.47 -1.68 1.61 0.00 -0.08 -4.98 117.12 113.89 1oum n MET 45 Ca -0.09 -3.35 -0.45 0.00 0.00 0.00 0.00 57.70 53.81 1oum n MET 45 Cb 0.43 -3.00 -0.04 0.00 0.00 0.00 0.00 33.22 30.61 1oum n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1oum n LEU 46 N 4.34 3.26 -4.39 -0.89 4.77 -1.26 -4.32 117.00 118.52 1oum n LEU 46 Ca 0.42 1.07 -0.30 0.00 -0.03 0.00 0.00 56.01 57.17 1oum n LEU 46 Cb 0.37 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.87 1oum n LEU 46 CO 0.83 -0.20 -0.54 -0.83 -1.33 0.00 0.00 177.39 175.32 1oum s GLY 47 N 1.18 1.47 0.02 -0.72 0.00 -0.68 -4.24 107.32 104.35 1oum s GLY 47 Ca 0.79 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1oum s GLY 47 CO 0.38 -1.12 -0.03 -1.36 0.00 0.00 0.00 173.10 170.96 1oum s PHE 48 N -0.85 0.29 -0.05 1.90 0.08 0.38 -0.98 117.98 118.76 1oum s PHE 48 Ca 0.13 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.71 1oum s PHE 48 Cb -0.10 -0.20 0.03 0.00 -0.57 0.00 0.00 43.02 42.17 1oum s PHE 48 CO 0.03 -0.15 -0.01 -0.08 -0.10 0.00 0.00 175.22 174.91 1oum s THR 49 N -1.28 0.33 0.00 0.64 -1.32 -0.83 0.28 115.64 113.46 1oum s THR 49 Ca -0.13 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1oum s THR 49 Cb -0.09 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1oum s THR 49 CO -0.01 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1oum n GLY 50 N 4.49 4.08 3.17 6.08 0.00 -0.10 -1.84 105.19 121.06 1oum n GLY 50 Ca -0.19 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1oum n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oum s THR 51 N -0.79 0.99 -0.23 2.61 -4.23 -0.92 -0.70 115.64 112.36 1oum s THR 51 Ca 0.00 -1.52 -0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1oum s THR 51 Cb 0.00 -1.24 0.06 0.00 1.34 0.00 0.00 72.50 72.66 1oum s THR 51 CO 0.00 -0.45 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.15 1oum s TYR 52 N -2.04 1.99 -1.38 3.99 6.14 0.50 -1.10 117.35 125.45 1oum s TYR 52 Ca 0.03 -1.54 -0.05 0.00 0.64 0.00 0.00 57.07 56.16 1oum s TYR 52 Cb -0.05 -1.47 0.03 0.00 0.42 0.00 0.00 41.96 40.88 1oum s TYR 52 CO 0.01 -0.74 0.81 1.63 0.64 0.00 0.00 175.55 177.89 1oum n LYS 53 N 4.78 -5.23 0.00 4.97 5.02 -1.26 -1.26 118.16 125.19 1oum n LYS 53 Ca -0.10 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1oum n LYS 53 Cb 0.45 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 1oum n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oum n GLY 54 N -1.62 2.93 3.70 0.72 0.00 -1.26 -5.00 105.19 104.66 1oum n GLY 54 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1oum n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oum s ARG 55 N -0.06 4.43 0.09 1.61 3.00 -0.39 -4.98 118.95 122.67 1oum s ARG 55 Ca 0.00 1.07 -0.31 0.00 -1.00 0.00 0.00 55.73 55.49 1oum s ARG 55 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 34.95 31.39 1oum s ARG 55 CO 0.00 -0.07 1.34 0.21 0.00 0.00 0.00 175.30 176.78 1oum s LYS 56 N 1.22 4.35 -0.11 5.12 2.20 -1.26 -0.37 119.74 130.88 1oum s LYS 56 Ca 0.42 1.99 -0.13 0.00 -0.36 0.00 0.00 55.97 57.89 1oum s LYS 56 Cb -0.18 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1oum s LYS 56 CO 0.19 -0.40 0.35 0.42 -0.36 0.00 0.00 175.35 175.55 1oum s ILE 57 N 1.18 0.01 0.22 5.43 1.01 0.13 -4.64 121.20 124.53 1oum s ILE 57 Ca 0.63 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 61.28 1oum s ILE 57 Cb -0.35 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1oum s ILE 57 CO 0.30 -0.05 -0.08 -0.44 0.00 0.00 0.00 174.94 174.66 1oum s SER 58 N -0.13 4.24 -0.02 3.58 0.01 -0.84 -0.92 113.70 119.62 1oum s SER 58 Ca -0.03 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 56.57 1oum s SER 58 Cb -0.03 -0.70 0.02 0.00 0.21 0.00 0.00 66.02 65.52 1oum s SER 58 CO 0.01 0.07 0.03 0.54 0.41 0.00 0.00 173.24 174.30 1oum s VAL 59 N -1.97 -0.03 -0.29 3.43 0.11 0.14 -0.86 120.40 120.93 1oum s VAL 59 Ca 0.27 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.29 1oum s VAL 59 Cb -0.08 -0.06 0.12 0.00 -1.53 0.00 0.00 36.38 34.83 1oum s VAL 59 CO 0.16 0.05 0.86 -0.32 -3.33 0.00 0.00 175.10 172.53 1oum s MET 60 N 0.63 0.51 0.80 1.54 0.00 -0.45 -0.47 119.30 121.86 1oum s MET 60 Ca -0.05 0.88 -0.14 0.00 0.00 0.00 0.00 55.69 56.38 1oum s MET 60 Cb -0.07 0.10 0.07 0.00 0.00 0.00 0.00 34.83 34.93 1oum s MET 60 CO -0.02 -0.11 1.14 0.41 0.00 0.00 0.00 175.02 176.45 1oum n GLY 61 N 3.94 -0.14 0.11 2.11 0.00 -1.26 -4.04 105.19 105.91 1oum n GLY 61 Ca -0.19 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.41 1oum n GLY 61 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1oum n HIS 62 N -3.20 0.00 -0.10 1.61 1.44 -1.25 -4.89 115.22 108.83 1oum n HIS 62 Ca 0.13 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.86 1oum n HIS 62 Cb 0.50 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.61 1oum n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1oum n GLY 63 N 1.14 -2.37 3.74 -1.39 0.00 -1.26 -2.61 105.19 102.45 1oum n GLY 63 Ca 0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1oum n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oum s VAL 64 N -2.64 3.90 0.00 1.61 1.01 -1.26 -4.44 120.40 118.58 1oum s VAL 64 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1oum s VAL 64 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1oum s VAL 64 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1oum n GLY 65 N 1.72 -2.41 0.16 4.51 0.00 -1.25 -4.24 105.19 103.68 1oum n GLY 65 Ca 0.01 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 1oum n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1oum h ILE 66 N 0.00 0.65 -0.99 -0.61 2.04 -1.72 -2.34 117.51 114.55 1oum h ILE 66 Ca 0.00 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1oum h ILE 66 Cb 0.00 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1oum h ILE 66 CO 0.00 0.01 0.62 -0.65 0.00 0.00 0.00 178.15 178.12 1oum h PRO 67 N 0.03 0.97 0.28 2.37 0.11 -1.91 0.22 132.00 134.07 1oum h PRO 67 Ca 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1oum h PRO 67 Cb 0.27 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1oum h PRO 67 CO -0.37 0.64 -0.13 1.03 -0.21 0.00 0.00 178.00 178.96 1oum h SER 68 N 1.00 -0.31 0.30 -2.05 0.87 -1.62 -3.12 113.55 108.61 1oum h SER 68 Ca 0.48 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1oum h SER 68 Cb 0.44 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1oum h SER 68 CO -0.25 0.13 -0.17 0.00 -0.53 0.00 0.00 176.83 176.01 1oum h SER 70 N 0.00 0.45 0.50 0.00 0.02 -0.98 -1.06 113.55 112.48 1oum h SER 70 Ca -0.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1oum h SER 70 Cb 0.37 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1oum h SER 70 CO 0.02 0.53 -0.24 0.40 -1.14 0.00 0.00 176.83 176.40 1oum h ILE 71 N 0.47 0.00 -0.61 3.27 1.08 -1.31 -2.66 117.51 117.75 1oum h ILE 71 Ca 0.10 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 1oum h ILE 71 Cb 0.32 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.02 1oum h ILE 71 CO 0.01 0.00 0.35 1.88 -0.69 0.00 0.00 178.15 179.70 1oum h TYR 72 N -0.74 0.66 -0.48 1.37 0.05 -1.53 -1.98 116.97 114.32 1oum h TYR 72 Ca -0.07 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 1oum h TYR 72 Cb 0.51 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1oum h TYR 72 CO 0.09 0.35 -0.01 1.79 -1.05 0.00 0.00 178.16 179.33 1oum h THR 73 N 0.68 1.25 -0.11 -2.88 1.35 -1.29 -1.01 112.91 110.89 1oum h THR 73 Ca 0.26 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1oum h THR 73 Cb 0.09 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1oum h THR 73 CO -0.13 0.36 0.03 0.50 -0.25 0.00 0.00 175.52 176.03 1oum h LYS 74 N 0.75 0.17 -0.67 4.72 3.11 -1.11 -2.24 116.57 121.30 1oum h LYS 74 Ca 0.14 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.89 1oum h LYS 74 Cb 0.47 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 1oum h LYS 74 CO 0.02 0.33 0.19 0.93 -2.81 0.00 0.00 179.45 178.11 1oum h GLU 75 N -0.02 1.06 -0.95 1.90 5.08 -1.21 -1.25 114.58 119.20 1oum h GLU 75 Ca 0.04 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1oum h GLU 75 Cb 0.23 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1oum h GLU 75 CO -0.00 0.93 0.63 -0.07 -1.00 0.00 0.00 179.01 179.50 1oum h LEU 76 N 0.99 1.08 0.04 1.33 3.38 -1.12 0.13 115.31 121.14 1oum h LEU 76 Ca 0.21 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1oum h LEU 76 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1oum h LEU 76 CO -0.00 0.77 -0.02 0.40 0.09 0.00 0.00 178.44 179.68 1oum h ILE 77 N 1.27 1.32 0.00 1.22 1.08 -1.07 -1.69 117.51 119.64 1oum h ILE 77 Ca 0.36 -1.35 -0.12 0.00 -0.39 0.00 0.00 64.86 63.36 1oum h ILE 77 Cb -0.12 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1oum h ILE 77 CO -0.08 0.33 -0.88 0.71 -0.69 0.00 0.00 178.15 177.54 1oum h THR 78 N -0.67 0.68 0.00 -0.27 1.35 -1.21 -3.26 112.91 109.54 1oum h THR 78 Ca -0.01 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1oum h THR 78 Cb 0.59 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1oum h THR 78 CO 0.01 0.39 -1.10 0.47 -0.25 0.00 0.00 175.52 175.04 1oum n ASP 79 N -3.07 2.04 -0.01 5.36 10.43 0.44 -4.66 116.55 127.08 1oum n ASP 79 Ca -0.03 -0.24 0.01 0.00 2.57 0.00 0.00 54.79 57.11 1oum n ASP 79 Cb 0.77 1.29 0.01 0.00 1.84 0.00 0.00 41.12 45.03 1oum n ASP 79 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1oum n PHE 80 N -1.63 0.00 -2.01 1.24 3.01 -1.01 -4.45 117.46 112.61 1oum n PHE 80 Ca -0.01 -0.48 -0.20 0.00 1.01 0.00 0.00 57.45 57.77 1oum n PHE 80 Cb 0.21 -0.05 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 1oum n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oum n GLY 81 N -0.51 0.68 3.74 1.37 0.00 -1.10 -4.60 105.19 104.77 1oum n GLY 81 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1oum n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oum s VAL 82 N -2.88 3.19 -0.19 1.61 1.01 -0.67 -4.77 120.40 117.70 1oum s VAL 82 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.08 1oum s VAL 82 Cb 0.00 -3.66 -0.17 0.00 0.00 0.00 0.00 36.38 32.55 1oum s VAL 82 CO 0.00 0.18 -0.08 0.29 0.00 0.00 0.00 175.10 175.49 1oum n LYS 83 N 2.18 0.88 -4.83 2.72 4.01 0.03 -4.48 118.16 118.66 1oum n LYS 83 Ca 0.04 0.06 -0.26 0.00 -0.51 0.00 0.00 58.31 57.65 1oum n LYS 83 Cb 0.43 -1.43 -0.16 0.00 -0.51 0.00 0.00 35.03 33.37 1oum n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1oum s LYS 84 N -2.41 1.66 -0.10 1.97 1.02 -0.77 -1.09 119.74 120.02 1oum s LYS 84 Ca -0.19 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.20 1oum s LYS 84 Cb 0.06 -1.49 0.02 0.00 -0.52 0.00 0.00 37.83 35.90 1oum s LYS 84 CO 0.58 0.28 -0.14 0.42 -0.92 0.00 0.00 175.35 175.57 1oum s ILE 85 N -0.10 1.38 -0.22 2.17 -1.09 -0.48 -0.91 121.20 121.96 1oum s ILE 85 Ca -0.01 -0.57 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1oum s ILE 85 Cb -0.10 -1.28 0.04 0.00 -1.58 0.00 0.00 42.46 39.54 1oum s ILE 85 CO 0.01 0.42 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.36 1oum s ILE 86 N 1.06 2.08 -0.05 2.92 1.09 0.11 -1.13 121.20 127.27 1oum s ILE 86 Ca -0.06 -1.25 -0.17 0.00 -1.10 0.00 0.00 60.65 58.07 1oum s ILE 86 Cb -0.15 -2.03 -0.05 0.00 -1.06 0.00 0.00 42.46 39.17 1oum s ILE 86 CO -0.02 0.26 0.47 -0.60 -0.10 0.00 0.00 174.94 174.96 1oum s ARG 87 N 1.22 4.20 -0.18 2.79 3.52 0.43 -0.06 118.95 130.87 1oum s ARG 87 Ca -0.02 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1oum s ARG 87 Cb -0.16 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1oum s ARG 87 CO -0.09 0.38 -0.07 0.14 -0.81 0.00 0.00 175.30 174.85 1oum s VAL 88 N -0.13 1.34 0.00 7.11 -7.23 -0.44 -0.35 120.40 120.71 1oum s VAL 88 Ca 0.26 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1oum s VAL 88 Cb -0.16 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1oum s VAL 88 CO 0.13 0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1oum n GLY 89 N 4.79 4.01 3.55 2.32 0.00 -0.47 0.17 105.19 119.56 1oum n GLY 89 Ca -0.13 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1oum n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oum s SER 90 N 1.60 3.90 0.14 1.61 1.04 -1.26 -1.23 113.70 119.50 1oum s SER 90 Ca 0.00 -1.00 -0.14 0.00 0.48 0.00 0.00 55.95 55.29 1oum s SER 90 Cb 0.00 -0.45 0.02 0.00 0.10 0.00 0.00 66.02 65.69 1oum s SER 90 CO 0.00 -0.09 0.37 0.00 0.98 0.00 0.00 173.24 174.50 1oum s GLY 92 N -2.86 2.11 0.09 0.00 0.00 -0.25 -0.80 107.32 105.63 1oum s GLY 92 Ca 0.07 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.95 1oum s GLY 92 CO -0.08 -0.87 -0.06 0.00 0.00 0.00 0.00 173.10 172.09 1oum s ALA 93 N -1.43 3.08 -0.05 3.20 0.00 -0.26 0.83 121.76 127.11 1oum s ALA 93 Ca 0.32 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1oum s ALA 93 Cb -0.13 -1.01 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 1oum s ALA 93 CO 0.24 0.66 0.13 1.33 0.00 0.00 0.00 175.76 178.12 1oum n VAL 94 N 0.70 0.00 -3.05 0.00 0.24 -1.26 -0.87 118.33 114.09 1oum n VAL 94 Ca -0.13 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 1oum n VAL 94 Cb 0.52 0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 33.36 1oum n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1oum s LEU 95 N -3.11 4.31 0.22 1.34 1.43 -1.26 -4.85 118.68 116.77 1oum s LEU 95 Ca -0.01 1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 54.19 1oum s LEU 95 Cb 0.03 -3.07 0.28 0.00 0.03 0.00 0.00 46.19 43.46 1oum s LEU 95 CO 0.20 -0.12 1.82 -0.65 0.23 0.00 0.00 176.35 177.84 1oum h PRO 96 N 6.77 0.75 0.00 1.29 0.11 -1.99 -2.33 132.00 136.60 1oum h PRO 96 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1oum h PRO 96 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1oum h PRO 96 CO 0.75 0.50 0.00 -2.39 -0.21 0.00 0.00 178.00 176.65 1oum n HIS 97 N -4.74 0.52 -2.88 0.65 1.44 -1.26 -4.59 115.22 104.37 1oum n HIS 97 Ca 0.10 0.18 -0.42 0.00 -2.01 0.00 0.00 57.72 55.57 1oum n HIS 97 Cb 0.18 -0.79 -0.04 0.00 0.12 0.00 0.00 29.99 29.46 1oum n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1oum s VAL 98 N -3.14 4.81 0.36 0.61 1.01 -0.88 -5.03 120.40 118.14 1oum s VAL 98 Ca 0.08 1.55 0.07 0.00 0.00 0.00 0.00 61.98 63.68 1oum s VAL 98 Cb 0.12 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1oum s VAL 98 CO 0.43 -0.11 0.36 -0.54 0.00 0.00 0.00 175.10 175.25 1oum s LYS 99 N 2.90 2.77 0.15 2.72 1.02 -1.26 -4.84 119.74 123.19 1oum s LYS 99 Ca 0.35 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.75 1oum s LYS 99 Cb -0.15 -2.54 -0.11 0.00 -0.52 0.00 0.00 37.83 34.51 1oum s LYS 99 CO 0.08 0.00 1.81 -1.17 -0.92 0.00 0.00 175.35 175.15 1oum s LEU 100 N -4.08 4.39 0.00 3.17 2.96 -1.26 -1.76 118.68 122.10 1oum s LEU 100 Ca 0.44 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 57.16 1oum s LEU 100 Cb -0.06 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1oum s LEU 100 CO 0.28 -1.00 0.00 0.54 -1.32 0.00 0.00 176.35 174.85 1oum n ARG 101 N 5.21 0.00 -2.20 1.98 1.74 -0.01 -4.98 116.66 118.40 1oum n ARG 101 Ca 0.17 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 1oum n ARG 101 Cb 0.37 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1oum n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oum s ASP 102 N -2.98 5.72 -0.15 0.55 1.01 -0.72 -4.65 116.67 115.45 1oum s ASP 102 Ca 0.00 2.26 -0.13 0.00 0.71 0.00 0.00 52.55 55.39 1oum s ASP 102 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1oum s ASP 102 CO 0.00 -1.22 0.28 -0.69 0.21 0.00 0.00 175.17 173.74 1oum s VAL 103 N -1.67 5.31 -0.07 -1.27 1.01 -1.26 -1.24 120.40 121.21 1oum s VAL 103 Ca 0.71 0.51 0.05 0.00 0.00 0.00 0.00 61.98 63.25 1oum s VAL 103 Cb -0.27 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1oum s VAL 103 CO 0.30 0.42 -0.22 -0.69 0.00 0.00 0.00 175.10 174.92 1oum s VAL 104 N 0.29 1.82 -0.23 2.92 1.01 0.65 -2.44 120.40 124.42 1oum s VAL 104 Ca 0.16 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1oum s VAL 104 Cb -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1oum s VAL 104 CO 0.04 0.51 0.05 -0.63 0.00 0.00 0.00 175.10 175.07 1oum s ILE 105 N 0.16 4.24 -1.08 2.22 -1.09 0.12 -1.21 121.20 124.56 1oum s ILE 105 Ca -0.11 -0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 1oum s ILE 105 Cb -0.15 -2.96 0.12 0.00 -1.58 0.00 0.00 42.46 37.89 1oum s ILE 105 CO 0.05 0.37 1.35 -0.83 -1.23 0.00 0.00 174.94 174.66 1oum s GLY 106 N 1.37 1.93 0.45 6.18 0.00 -0.71 -1.90 107.32 114.65 1oum s GLY 106 Ca 0.05 -2.89 0.19 0.00 0.00 0.00 0.00 44.72 42.07 1oum s GLY 106 CO 0.03 2.22 1.96 1.98 0.00 0.00 0.00 173.10 179.29 1oum h MET 107 N 8.30 0.00 -4.11 2.90 4.05 -1.65 -3.39 114.93 121.03 1oum h MET 107 Ca 0.25 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.55 1oum h MET 107 Cb 0.96 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.61 1oum h MET 107 CO 1.25 0.22 -0.56 0.20 0.23 0.00 0.00 176.91 178.25 1oum s GLY 108 N -4.23 0.43 -0.13 1.39 0.00 -1.15 -1.34 107.32 102.30 1oum s GLY 108 Ca -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 1oum s GLY 108 CO 0.66 -1.14 0.15 0.00 0.00 0.00 0.00 173.10 172.78 1oum s ALA 109 N -3.92 -0.04 0.80 3.20 0.00 0.03 -1.40 121.76 120.42 1oum s ALA 109 Ca 0.10 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1oum s ALA 109 Cb 0.07 -0.97 0.07 0.00 0.00 0.00 0.00 23.12 22.29 1oum s ALA 109 CO -0.08 -0.84 1.17 0.00 0.00 0.00 0.00 175.76 176.01 1oum s THR 111 N -3.56 0.00 -0.87 0.00 -1.32 -1.26 -0.70 115.64 107.93 1oum s THR 111 Ca 0.62 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.20 1oum s THR 111 Cb -0.11 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.19 1oum s THR 111 CO 0.49 0.00 1.25 -0.90 -2.21 0.00 0.00 174.62 173.26 1oum n ASP 112 N -0.13 2.94 -4.88 8.08 3.85 -1.23 -4.99 116.55 120.19 1oum n ASP 112 Ca -0.10 -2.04 -0.30 0.00 -0.71 0.00 0.00 54.79 51.64 1oum n ASP 112 Cb 0.62 -0.24 0.03 0.00 -1.35 0.00 0.00 41.12 40.17 1oum n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1oum s SER 113 N -1.03 5.88 0.00 -1.12 0.15 -1.26 -4.89 113.70 111.42 1oum s SER 113 Ca 0.23 1.25 0.19 0.00 0.70 0.00 0.00 55.95 58.33 1oum s SER 113 Cb 0.13 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 62.33 1oum s SER 113 CO 0.15 -1.06 1.07 1.17 1.20 0.00 0.00 173.24 175.77 1oum n LYS 114 N -2.83 1.67 -0.37 5.44 4.81 -1.26 -4.62 118.16 121.00 1oum n LYS 114 Ca 0.06 -1.43 0.01 0.00 -0.87 0.00 0.00 58.31 56.09 1oum n LYS 114 Cb 0.56 -1.37 0.16 0.00 0.02 0.00 0.00 35.03 34.39 1oum n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1oum h VAL 115 N 3.30 1.12 0.00 3.15 -1.51 -1.99 -1.52 116.25 118.79 1oum h VAL 115 Ca 0.00 -0.41 -0.14 0.00 -1.23 0.00 0.00 66.70 64.92 1oum h VAL 115 Cb 0.76 -0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 29.72 1oum h VAL 115 CO 0.00 0.22 -0.68 0.78 -1.23 0.00 0.00 177.57 176.66 1oum h ASN 116 N 1.20 0.00 0.25 4.19 -0.26 -1.94 -2.72 115.58 116.29 1oum h ASN 116 Ca 0.41 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 56.00 1oum h ASN 116 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1oum h ASN 116 CO -0.15 0.68 -0.59 0.03 -1.06 0.00 0.00 177.43 176.33 1oum h ARG 117 N 0.00 0.35 -0.15 0.81 3.08 -1.68 0.35 114.38 117.14 1oum h ARG 117 Ca -0.01 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1oum h ARG 117 Cb 1.25 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 1oum h ARG 117 CO 0.09 0.84 -0.21 0.82 -1.07 0.00 0.00 179.97 180.44 1oum h ILE 118 N 0.26 1.22 0.09 2.04 2.04 -1.18 0.48 117.51 122.46 1oum h ILE 118 Ca -0.00 -1.00 -0.28 0.00 1.00 0.00 0.00 64.86 64.58 1oum h ILE 118 Cb 1.11 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1oum h ILE 118 CO 0.10 0.31 -1.34 0.03 0.00 0.00 0.00 178.15 177.25 1oum h ARG 119 N 0.24 0.19 -0.95 2.37 3.08 -1.16 -3.38 114.38 114.77 1oum h ARG 119 Ca 0.04 -0.33 -0.64 0.00 0.07 0.00 0.00 59.98 59.12 1oum h ARG 119 Cb 0.50 0.12 -0.31 0.00 0.08 0.00 0.00 29.97 30.37 1oum h ARG 119 CO 0.03 1.09 0.62 0.34 -1.07 0.00 0.00 179.97 180.98 1oum n PHE 120 N -3.43 3.11 -3.86 3.04 7.35 0.08 -4.91 117.46 118.84 1oum n PHE 120 Ca -0.10 -2.80 -0.30 0.00 -0.76 0.00 0.00 57.45 53.48 1oum n PHE 120 Cb 1.02 -1.25 -0.00 0.00 0.35 0.00 0.00 39.48 39.60 1oum n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1oum n LYS 121 N -0.92 -4.03 -1.59 -4.13 4.76 -1.14 -1.13 118.16 109.98 1oum n LYS 121 Ca 0.60 0.48 -0.16 0.00 -2.87 0.00 0.00 58.31 56.35 1oum n LYS 121 Cb 0.80 -5.27 -0.06 0.00 -1.84 0.00 0.00 35.03 28.66 1oum n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1oum n ASP 122 N -2.60 -4.96 -4.05 4.39 2.03 0.17 -5.00 116.55 106.52 1oum n ASP 122 Ca 0.04 0.35 -0.16 0.00 0.52 0.00 0.00 54.79 55.54 1oum n ASP 122 Cb 0.52 -3.92 0.03 0.00 -0.72 0.00 0.00 41.12 37.02 1oum n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1oum n HIS 123 N -2.73 -1.77 -2.96 -0.67 8.25 -0.28 -5.01 115.22 110.05 1oum n HIS 123 Ca -0.17 -1.57 -0.43 0.00 -0.26 0.00 0.00 57.72 55.30 1oum n HIS 123 Cb 0.55 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1oum n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oum s ASP 124 N -3.43 6.40 -0.25 0.41 -0.00 -1.26 -4.59 116.67 113.94 1oum s ASP 124 Ca 0.34 -0.17 -0.14 0.00 -0.00 0.00 0.00 52.55 52.58 1oum s ASP 124 Cb -0.03 -2.39 -0.04 0.00 -0.00 0.00 0.00 42.92 40.46 1oum s ASP 124 CO 0.21 -0.95 0.32 0.12 -0.00 0.00 0.00 175.17 174.87 1oum s PHE 125 N 3.34 3.29 -0.69 4.23 5.36 -1.26 -5.02 117.98 127.23 1oum s PHE 125 Ca 0.29 0.39 -0.26 0.00 -0.96 0.00 0.00 56.93 56.39 1oum s PHE 125 Cb -0.12 -2.48 0.04 0.00 -0.34 0.00 0.00 43.02 40.11 1oum s PHE 125 CO 0.22 -0.11 1.20 0.00 -1.46 0.00 0.00 175.22 175.07 1oum s ALA 126 N 1.65 2.86 -0.50 11.12 0.00 -1.26 -4.95 121.76 130.68 1oum s ALA 126 Ca 0.14 -1.33 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 1oum s ALA 126 Cb -0.15 -4.14 -0.01 0.00 0.00 0.00 0.00 23.12 18.82 1oum s ALA 126 CO 0.09 -3.06 1.72 0.00 0.00 0.00 0.00 175.76 174.50 1oum s ALA 127 N 5.28 2.56 0.24 0.00 0.00 -1.26 -4.97 121.76 123.62 1oum s ALA 127 Ca 0.34 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.04 1oum s ALA 127 Cb -0.09 -4.15 -0.05 0.00 0.00 0.00 0.00 23.12 18.82 1oum s ALA 127 CO 0.16 -3.23 -0.14 0.96 0.00 0.00 0.00 175.76 173.51 1oum s ILE 128 N 7.58 1.92 0.70 0.00 -4.36 -1.26 -0.79 121.20 124.99 1oum s ILE 128 Ca 0.68 -2.25 -0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1oum s ILE 128 Cb -0.15 -2.20 0.09 0.00 1.25 0.00 0.00 42.46 41.45 1oum s ILE 128 CO 0.26 -0.48 0.99 0.00 0.24 0.00 0.00 174.94 175.95 1oum s ALA 129 N -2.85 3.40 -0.05 2.27 0.00 -0.45 -4.82 121.76 119.26 1oum s ALA 129 Ca 0.26 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1oum s ALA 129 Cb -0.01 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 1oum s ALA 129 CO 0.10 -1.35 1.02 0.34 0.00 0.00 0.00 175.76 175.87 1oum s ASP 130 N -4.61 7.28 0.15 0.00 -1.08 -0.93 -4.96 116.67 112.53 1oum s ASP 130 Ca 0.63 1.63 -0.19 0.00 -0.52 0.00 0.00 52.55 54.10 1oum s ASP 130 Cb -0.08 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1oum s ASP 130 CO 0.44 -0.37 1.67 0.15 0.52 0.00 0.00 175.17 177.57 1oum h PHE 131 N 6.97 -0.29 -0.94 -5.34 3.57 -1.96 -2.09 116.94 116.87 1oum h PHE 131 Ca -0.36 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.24 1oum h PHE 131 Cb 1.18 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.03 1oum h PHE 131 CO 0.70 -0.19 0.60 -0.44 -2.23 0.00 0.00 178.31 176.74 1oum h ASP 132 N -0.06 0.95 -0.42 0.41 3.45 -1.99 0.16 116.42 118.92 1oum h ASP 132 Ca 0.16 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.58 1oum h ASP 132 Cb 0.31 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1oum h ASP 132 CO -0.36 0.60 0.09 0.24 -1.57 0.00 0.00 179.24 178.24 1oum h MET 133 N 1.08 0.75 -0.06 3.56 2.86 -1.84 0.70 114.93 121.99 1oum h MET 133 Ca 0.41 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1oum h MET 133 Cb 0.18 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1oum h MET 133 CO -0.18 0.70 0.01 0.28 1.06 0.00 0.00 176.91 178.79 1oum h VAL 134 N 0.72 1.18 -0.32 -2.22 2.07 -0.46 -1.80 116.25 115.43 1oum h VAL 134 Ca 0.16 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1oum h VAL 134 Cb 0.31 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1oum h VAL 134 CO 0.00 0.15 -0.05 -0.09 0.02 0.00 0.00 177.57 177.60 1oum h ARG 135 N -0.12 0.51 -0.44 1.57 2.43 -0.71 -0.96 114.38 116.66 1oum h ARG 135 Ca 0.02 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1oum h ARG 135 Cb 0.23 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1oum h ARG 135 CO 0.00 0.58 0.05 -0.91 -1.51 0.00 0.00 179.97 178.18 1oum h ASN 136 N 0.48 0.71 -0.25 -3.80 2.35 -0.75 0.16 115.58 114.50 1oum h ASN 136 Ca 0.10 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1oum h ASN 136 Cb 0.40 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1oum h ASN 136 CO 0.02 0.81 0.11 0.00 -1.65 0.00 0.00 177.43 176.72 1oum h ALA 137 N 0.93 0.32 -0.10 -0.83 0.00 -0.98 0.19 119.26 118.79 1oum h ALA 137 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1oum h ALA 137 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1oum h ALA 137 CO 0.01 -0.11 0.07 0.28 0.00 0.00 0.00 179.25 179.50 1oum h VAL 138 N 0.26 1.03 -0.58 0.00 2.07 -1.07 -0.58 116.25 117.38 1oum h VAL 138 Ca 0.08 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1oum h VAL 138 Cb 0.13 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1oum h VAL 138 CO -0.01 0.03 0.23 0.44 0.02 0.00 0.00 177.57 178.28 1oum h ASP 139 N 0.13 0.80 -0.55 0.57 3.45 -0.80 -1.18 116.42 118.85 1oum h ASP 139 Ca 0.04 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 1oum h ASP 139 Cb -0.01 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.52 1oum h ASP 139 CO -0.01 0.75 0.27 0.00 -1.57 0.00 0.00 179.24 178.68 1oum h ALA 140 N 1.08 1.38 -0.47 3.45 0.00 -0.43 -1.03 119.26 123.24 1oum h ALA 140 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1oum h ALA 140 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1oum h ALA 140 CO -0.02 0.48 -0.08 0.00 0.00 0.00 0.00 179.25 179.64 1oum h ALA 141 N 1.48 0.65 -0.59 0.00 0.00 -0.65 -2.55 119.26 117.60 1oum h ALA 141 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1oum h ALA 141 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1oum h ALA 141 CO -0.03 0.52 0.24 -0.22 0.00 0.00 0.00 179.25 179.76 1oum h LYS 142 N 0.74 0.88 -0.00 0.00 1.63 -0.68 0.35 116.57 119.47 1oum h LYS 142 Ca 0.13 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1oum h LYS 142 Cb 0.61 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1oum h LYS 142 CO 0.04 0.75 0.00 0.00 -3.45 0.00 0.00 179.45 176.79 1oum h ALA 143 N 1.09 1.59 -0.68 5.00 0.00 -1.02 0.39 119.26 125.63 1oum h ALA 143 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1oum h ALA 143 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oum h ALA 143 CO -0.02 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1oum n LEU 144 N -3.94 3.98 -1.37 0.00 4.77 -0.79 -4.92 117.00 114.73 1oum n LEU 144 Ca -0.03 -2.00 -0.13 0.00 -0.03 0.00 0.00 56.01 53.82 1oum n LEU 144 Cb 0.08 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1oum n LEU 144 CO 0.28 0.89 -0.16 0.61 -1.33 0.00 0.00 177.39 177.69 1oum n GLY 145 N 1.47 0.28 3.46 -0.72 0.00 0.13 -5.01 105.19 104.80 1oum n GLY 145 Ca 0.24 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1oum n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oum s ILE 146 N -2.61 3.53 -0.30 -0.61 -1.09 0.12 -5.00 121.20 115.24 1oum s ILE 146 Ca 0.00 -0.50 -0.22 0.00 -2.23 0.00 0.00 60.65 57.70 1oum s ILE 146 Cb 0.00 -2.51 -0.00 0.00 -1.58 0.00 0.00 42.46 38.37 1oum s ILE 146 CO 0.00 0.52 0.72 -1.81 -1.23 0.00 0.00 174.94 173.14 1oum s ASP 147 N 0.17 6.60 -0.18 3.58 1.01 -1.26 -3.37 116.67 123.22 1oum s ASP 147 Ca -0.04 0.60 -0.04 0.00 0.71 0.00 0.00 52.55 53.79 1oum s ASP 147 Cb -0.14 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1oum s ASP 147 CO 0.04 -0.54 -0.04 0.00 0.21 0.00 0.00 175.17 174.84 1oum s ALA 148 N 2.79 2.92 0.00 5.23 0.00 -1.26 -4.41 121.76 127.03 1oum s ALA 148 Ca 0.29 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1oum s ALA 148 Cb -0.15 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 1oum s ALA 148 CO 0.12 -0.03 0.49 0.50 0.00 0.00 0.00 175.76 176.83 1oum s ARG 149 N 0.79 4.12 -0.08 0.00 3.52 -1.02 -4.92 118.95 121.37 1oum s ARG 149 Ca -0.01 0.55 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 1oum s ARG 149 Cb -0.15 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1oum s ARG 149 CO 0.02 0.55 -0.19 0.08 -0.81 0.00 0.00 175.30 174.94 1oum s VAL 150 N -0.69 2.56 -1.05 7.11 1.01 -1.26 0.15 120.40 128.23 1oum s VAL 150 Ca 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1oum s VAL 150 Cb -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1oum s VAL 150 CO 0.15 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1oum n GLY 151 N 3.02 -0.76 3.84 4.51 0.00 -0.80 -4.96 105.19 110.05 1oum n GLY 151 Ca -0.18 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1oum n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oum s ASN 152 N -4.00 6.80 0.42 1.61 0.01 -1.26 -1.70 114.94 116.81 1oum s ASN 152 Ca 0.00 0.98 0.07 0.00 -0.71 0.00 0.00 52.86 53.21 1oum s ASN 152 Cb 0.00 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1oum s ASN 152 CO 0.00 0.21 0.27 -0.76 -1.51 0.00 0.00 177.10 175.31 1oum s LEU 153 N -1.59 3.22 -0.12 0.60 1.43 -0.49 -0.37 118.68 121.36 1oum s LEU 153 Ca 0.31 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1oum s LEU 153 Cb -0.16 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1oum s LEU 153 CO 0.17 -0.61 -0.05 0.12 0.23 0.00 0.00 176.35 176.21 1oum s PHE 154 N -2.55 1.34 -0.53 0.29 5.36 0.28 -0.98 117.98 121.19 1oum s PHE 154 Ca 0.44 -0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 55.55 1oum s PHE 154 Cb 0.01 -1.15 0.09 0.00 -0.34 0.00 0.00 43.02 41.62 1oum s PHE 154 CO 0.25 -0.50 0.56 -1.12 -1.46 0.00 0.00 175.22 172.95 1oum s SER 155 N 1.76 6.19 0.19 6.13 0.01 0.13 -0.59 113.70 127.51 1oum s SER 155 Ca 0.04 -1.31 -0.15 0.00 1.31 0.00 0.00 55.95 55.84 1oum s SER 155 Cb -0.13 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1oum s SER 155 CO -0.08 -0.88 0.60 0.00 0.41 0.00 0.00 173.24 173.30 1oum s ALA 156 N 2.20 3.52 0.01 1.44 0.00 0.48 -3.47 121.76 125.94 1oum s ALA 156 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1oum s ALA 156 Cb -0.24 -2.60 -0.27 0.00 0.00 0.00 0.00 23.12 20.01 1oum s ALA 156 CO 0.07 0.42 0.87 -0.44 0.00 0.00 0.00 175.76 176.69 1oum h ASP 157 N 3.31 0.36 -3.76 0.00 3.45 -1.90 -3.41 116.42 114.47 1oum h ASP 157 Ca -0.48 -0.50 -0.68 0.00 0.43 0.00 0.00 57.03 55.79 1oum h ASP 157 Cb 1.19 -0.12 -0.33 0.00 -0.56 0.00 0.00 39.33 39.52 1oum h ASP 157 CO 0.66 1.42 -0.69 -0.76 -1.57 0.00 0.00 179.24 178.29 1oum s LEU 158 N -6.94 3.93 0.28 1.55 1.43 -1.26 -4.94 118.68 112.73 1oum s LEU 158 Ca -0.08 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 51.72 1oum s LEU 158 Cb 0.07 -1.72 0.38 0.00 0.03 0.00 0.00 46.19 44.95 1oum s LEU 158 CO 0.85 -0.27 1.94 0.15 0.23 0.00 0.00 176.35 179.26 1oum h PHE 159 N 8.01 1.10 -3.56 0.29 3.04 -1.97 -3.13 116.94 120.72 1oum h PHE 159 Ca -0.21 0.01 -0.77 0.00 3.98 0.00 0.00 57.97 60.98 1oum h PHE 159 Cb 1.06 -0.37 -0.30 0.00 2.56 0.00 0.00 35.95 38.91 1oum h PHE 159 CO 0.61 0.71 0.20 0.71 -2.02 0.00 0.00 178.31 178.53 1oum s TYR 160 N -5.92 4.03 0.21 0.41 2.02 -1.26 -5.05 117.35 111.79 1oum s TYR 160 Ca -0.12 -2.63 -0.30 0.00 -0.37 0.00 0.00 57.07 53.65 1oum s TYR 160 Cb 0.18 -3.66 -0.08 0.00 -0.40 0.00 0.00 41.96 37.99 1oum s TYR 160 CO 0.80 -0.90 0.95 0.45 -1.57 0.00 0.00 175.55 175.28 1oum s SER 161 N 1.12 7.61 0.36 2.29 0.15 -1.18 -4.95 113.70 119.10 1oum s SER 161 Ca 0.26 1.91 0.18 0.00 0.70 0.00 0.00 55.95 59.01 1oum s SER 161 Cb -0.10 -2.60 0.62 0.00 -1.71 0.00 0.00 66.02 62.22 1oum s SER 161 CO -0.09 0.10 1.71 -0.65 1.20 0.00 0.00 173.24 175.51 1oum h PRO 162 N 4.50 0.00 -3.94 5.44 0.11 -1.96 -3.38 132.00 132.76 1oum h PRO 162 Ca -0.44 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 64.89 1oum h PRO 162 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 1oum h PRO 162 CO 0.69 0.40 0.28 0.34 -0.21 0.00 0.00 178.00 179.50 1oum s ASP 163 N -6.47 6.86 0.51 -2.05 2.15 -1.26 -4.88 116.67 111.53 1oum s ASP 163 Ca 0.00 -2.79 0.33 0.00 0.43 0.00 0.00 52.55 50.52 1oum s ASP 163 Cb 0.11 -2.24 1.50 0.00 -0.30 0.00 0.00 42.92 41.99 1oum s ASP 163 CO 0.69 -0.58 1.99 1.23 -0.17 0.00 0.00 175.17 178.34 1oum h GLY 164 N 7.93 0.00 2.00 2.66 0.00 -2.02 -2.84 103.07 110.80 1oum h GLY 164 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1oum h GLY 164 CO 0.85 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 175.20 1oum h GLU 165 N 0.00 0.00 0.00 4.80 4.81 -1.96 -3.05 114.58 119.18 1oum h GLU 165 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1oum h GLU 165 Cb 0.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1oum h GLU 165 CO 0.00 0.10 -0.07 1.98 -0.73 0.00 0.00 179.01 180.29 1oum h MET 166 N 0.00 0.00 -0.20 1.92 4.05 -1.93 -2.03 114.93 116.73 1oum h MET 166 Ca -0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1oum h MET 166 Cb 0.48 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1oum h MET 166 CO 0.01 0.07 -0.10 0.74 0.23 0.00 0.00 176.91 177.87 1oum h PHE 167 N 0.00 0.33 -0.39 1.39 0.05 -1.76 0.30 116.94 116.86 1oum h PHE 167 Ca -0.00 -0.04 -0.12 0.00 3.82 0.00 0.00 57.97 61.64 1oum h PHE 167 Cb 0.13 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 37.98 1oum h PHE 167 CO 0.00 0.42 -0.22 -0.44 -0.18 0.00 0.00 178.31 177.88 1oum h ASP 168 N 0.30 0.87 -0.46 2.17 3.45 -1.57 -1.02 116.42 120.16 1oum h ASP 168 Ca 0.06 -0.42 -0.01 0.00 0.43 0.00 0.00 57.03 57.10 1oum h ASP 168 Cb 0.36 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1oum h ASP 168 CO 0.02 1.09 0.26 0.58 -1.57 0.00 0.00 179.24 179.62 1oum h VAL 169 N 0.64 1.16 -0.74 -1.35 2.07 -1.28 -0.27 116.25 116.48 1oum h VAL 169 Ca 0.08 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1oum h VAL 169 Cb 0.78 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1oum h VAL 169 CO 0.06 0.17 0.46 0.24 0.02 0.00 0.00 177.57 178.52 1oum h MET 170 N 0.61 0.84 -0.61 1.57 2.86 -0.75 -1.67 114.93 117.79 1oum h MET 170 Ca 0.16 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1oum h MET 170 Cb 0.04 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 1oum h MET 170 CO -0.03 0.56 0.15 1.49 1.06 0.00 0.00 176.91 180.14 1oum h GLU 171 N 0.87 0.98 -0.20 1.72 4.81 -0.67 -1.48 114.58 120.61 1oum h GLU 171 Ca 0.31 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1oum h GLU 171 Cb 0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1oum h GLU 171 CO -0.13 0.89 0.01 -0.22 -0.73 0.00 0.00 179.01 178.82 1oum h LYS 172 N 0.89 0.29 -0.63 1.92 3.64 -0.38 -2.68 116.57 119.62 1oum h LYS 172 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1oum h LYS 172 Cb 0.35 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1oum h LYS 172 CO 0.00 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 1oum n TYR 173 N -4.38 1.76 -1.16 1.91 4.01 -0.69 -4.96 117.16 113.65 1oum n TYR 173 Ca -0.00 -0.64 -0.06 0.00 -0.16 0.00 0.00 57.90 57.05 1oum n TYR 173 Cb 0.18 -0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 1oum n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oum n GLY 174 N 0.79 0.78 3.69 2.72 0.00 -1.01 -4.99 105.19 107.18 1oum n GLY 174 Ca 0.26 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1oum n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1oum n ILE 175 N -2.71 0.21 0.04 -0.61 -0.00 -0.58 -4.53 119.36 111.18 1oum n ILE 175 Ca -0.06 -0.04 -0.10 0.00 -0.00 0.00 0.00 62.75 62.55 1oum n ILE 175 Cb 0.24 -1.97 -0.13 0.00 -0.00 0.00 0.00 39.64 37.79 1oum n ILE 175 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1oum h LEU 176 N 7.61 0.12 -7.14 1.39 3.38 -1.05 -3.41 115.31 116.22 1oum h LEU 176 Ca -0.45 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.27 1oum h LEU 176 Cb 1.22 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 1oum h LEU 176 CO 0.94 1.14 0.04 -0.83 0.09 0.00 0.00 178.44 179.82 1oum s GLY 177 N -4.88 -0.46 -0.22 0.83 0.00 -1.24 -4.55 107.32 96.80 1oum s GLY 177 Ca -0.03 1.16 -0.06 0.00 0.00 0.00 0.00 44.72 45.79 1oum s GLY 177 CO 0.83 0.86 0.03 0.14 0.00 0.00 0.00 173.10 174.96 1oum s VAL 178 N -0.93 4.11 0.00 1.40 1.01 0.24 -0.56 120.40 125.68 1oum s VAL 178 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1oum s VAL 178 Cb -0.02 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1oum s VAL 178 CO 0.07 0.40 0.00 -1.84 0.00 0.00 0.00 175.10 173.73 1oum n GLU 179 N 4.45 0.00 -0.47 2.72 -0.00 0.24 -1.09 120.64 126.50 1oum n GLU 179 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1oum n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1oum n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1oum n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.39 117.12 121.72 1oum n MET 180 Ca 0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 1oum n MET 180 Cb 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1oum n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1oum n GLU 181 N 0.00 0.00 -0.17 0.03 4.71 -1.26 -2.01 120.64 121.95 1oum n GLU 181 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1oum n GLU 181 Cb 0.69 -0.53 -0.04 0.00 -1.01 0.00 0.00 31.44 30.55 1oum n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oum n ALA 182 N -2.19 -0.25 -0.16 0.62 0.00 -1.26 -0.28 120.51 116.99 1oum n ALA 182 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.91 1oum n ALA 182 Cb 0.20 0.06 0.47 0.00 0.00 0.00 0.00 19.45 20.19 1oum n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oum h ALA 183 N -0.03 2.02 -0.23 0.00 0.00 -1.83 -0.14 119.26 119.05 1oum h ALA 183 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1oum h ALA 183 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1oum h ALA 183 CO -0.37 -0.21 -0.16 0.78 0.00 0.00 0.00 179.25 179.29 1oum h GLY 184 N 0.48 0.56 0.97 0.00 0.00 -0.99 -2.18 103.07 101.91 1oum h GLY 184 Ca 0.36 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1oum h GLY 184 CO -0.12 0.49 0.05 -2.22 0.00 0.00 0.00 176.54 174.74 1oum h ILE 185 N 0.22 1.25 -0.13 2.60 2.04 -0.46 -2.22 117.51 120.81 1oum h ILE 185 Ca 0.04 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1oum h ILE 185 Cb 0.69 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1oum h ILE 185 CO 0.04 0.33 -0.18 1.88 0.00 0.00 0.00 178.15 180.23 1oum h TYR 186 N 0.63 0.22 -0.39 1.37 0.99 -1.08 -1.00 116.97 117.71 1oum h TYR 186 Ca 0.14 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 1oum h TYR 186 Cb 0.43 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.08 1oum h TYR 186 CO 0.03 0.39 -0.01 0.78 -0.00 0.00 0.00 178.16 179.35 1oum h GLY 187 N 0.81 0.75 0.96 3.88 0.00 -1.08 -2.20 103.07 106.18 1oum h GLY 187 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1oum h GLY 187 CO 0.03 0.51 -0.08 -2.08 0.00 0.00 0.00 176.54 174.92 1oum h VAL 188 N 0.51 1.27 -0.62 4.60 2.07 -1.01 -1.20 116.25 121.88 1oum h VAL 188 Ca 0.11 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1oum h VAL 188 Cb 0.48 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1oum h VAL 188 CO 0.02 0.38 0.32 0.00 0.02 0.00 0.00 177.57 178.31 1oum h ALA 189 N 0.84 0.82 -0.35 1.67 0.00 -1.13 -0.54 119.26 120.58 1oum h ALA 189 Ca 0.10 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1oum h ALA 189 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1oum h ALA 189 CO 0.04 -0.03 -0.34 0.00 0.00 0.00 0.00 179.25 178.91 1oum h ALA 190 N 1.35 0.52 -0.84 0.00 0.00 -1.30 0.58 119.26 119.56 1oum h ALA 190 Ca 0.29 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1oum h ALA 190 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1oum h ALA 190 CO -0.20 0.58 0.45 1.49 0.00 0.00 0.00 179.25 181.57 1oum h GLU 191 N 0.65 1.18 -0.35 0.00 4.81 -0.57 -3.09 114.58 117.20 1oum h GLU 191 Ca 0.06 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1oum h GLU 191 Cb 0.93 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1oum h GLU 191 CO 0.08 0.87 0.00 1.19 -0.73 0.00 0.00 179.01 180.43 1oum n PHE 192 N -4.33 1.14 -2.33 0.92 3.01 -0.27 -4.99 117.46 110.61 1oum n PHE 192 Ca 0.09 -0.79 -0.13 0.00 1.01 0.00 0.00 57.45 57.63 1oum n PHE 192 Cb 0.11 -0.32 -0.00 0.00 -0.01 0.00 0.00 39.48 39.26 1oum n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oum n GLY 193 N -0.08 -0.13 1.84 1.37 0.00 -0.47 -4.96 105.19 102.75 1oum n GLY 193 Ca 0.22 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1oum n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oum n ALA 194 N -1.85 0.36 -2.36 4.61 0.00 0.19 -5.01 120.51 116.46 1oum n ALA 194 Ca -0.13 -1.09 -0.31 0.00 0.00 0.00 0.00 53.44 51.91 1oum n ALA 194 Cb 0.61 0.49 -0.15 0.00 0.00 0.00 0.00 19.45 20.39 1oum n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oum s LYS 195 N -3.05 2.07 0.06 0.00 1.02 -0.25 -4.39 119.74 115.21 1oum s LYS 195 Ca 0.11 -0.95 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 1oum s LYS 195 Cb -0.01 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1oum s LYS 195 CO 0.07 0.55 0.20 0.00 -0.92 0.00 0.00 175.35 175.26 1oum s ALA 196 N -0.72 -0.33 -0.19 5.17 0.00 -1.26 -1.38 121.76 123.06 1oum s ALA 196 Ca 0.11 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 1oum s ALA 196 Cb -0.10 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.45 1oum s ALA 196 CO 0.01 -0.44 0.52 -1.17 0.00 0.00 0.00 175.76 174.68 1oum s LEU 197 N -2.45 0.02 -0.11 0.00 2.96 -0.29 -2.18 118.68 116.64 1oum s LEU 197 Ca -0.00 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1oum s LEU 197 Cb 0.02 1.79 -0.01 0.00 0.50 0.00 0.00 46.19 48.49 1oum s LEU 197 CO -0.07 -0.20 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.68 1oum s THR 198 N 0.20 2.50 -0.10 3.68 2.01 -1.26 -0.43 115.64 122.24 1oum s THR 198 Ca -0.01 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1oum s THR 198 Cb -0.04 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1oum s THR 198 CO 0.01 0.55 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.68 1oum s ILE 199 N 0.25 1.64 0.15 1.82 1.01 0.52 -1.74 121.20 124.86 1oum s ILE 199 Ca -0.13 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.84 1oum s ILE 199 Cb -0.16 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1oum s ILE 199 CO 0.07 0.47 -0.17 0.00 0.00 0.00 0.00 174.94 175.31 1oum s THR 201 N -2.04 2.53 -0.09 0.00 -4.23 -0.37 -0.25 115.64 111.18 1oum s THR 201 Ca 0.13 -0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 1oum s THR 201 Cb -0.06 -2.04 -0.07 0.00 1.34 0.00 0.00 72.50 71.67 1oum s THR 201 CO 0.05 0.53 2.10 0.52 -0.54 0.00 0.00 174.62 177.28 1oum n VAL 202 N 3.91 0.56 0.36 2.29 0.31 -0.37 -2.43 118.33 122.96 1oum n VAL 202 Ca -0.19 -0.30 0.11 0.00 -0.01 0.00 0.00 64.34 63.95 1oum n VAL 202 Cb 0.52 -2.43 -0.04 0.00 -0.91 0.00 0.00 33.84 30.98 1oum n VAL 202 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1oum n SER 203 N 9.55 0.52 -3.61 4.52 3.41 0.02 -0.83 113.62 127.21 1oum n SER 203 Ca 0.25 -0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.71 1oum n SER 203 Cb 0.42 1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 65.43 1oum n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1oum s ASP 204 N -4.28 -0.16 -0.23 4.04 -4.77 -1.23 -4.95 116.67 105.09 1oum s ASP 204 Ca 0.00 -0.10 -0.10 0.00 -3.30 0.00 0.00 52.55 49.05 1oum s ASP 204 Cb 0.13 0.25 -0.05 0.00 -1.09 0.00 0.00 42.92 42.16 1oum s ASP 204 CO 0.83 -0.43 0.14 -1.00 0.70 0.00 0.00 175.17 175.42 1oum s HIS 205 N -2.68 3.33 -1.51 2.11 3.76 -1.26 -1.11 115.29 117.93 1oum s HIS 205 Ca 0.10 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 1oum s HIS 205 Cb 0.01 -2.23 0.02 0.00 1.11 0.00 0.00 32.58 31.49 1oum s HIS 205 CO -0.04 0.12 0.79 -0.89 -0.85 0.00 0.00 174.74 173.87 1oum n ILE 206 N 4.06 0.05 0.00 0.60 5.41 -0.05 -3.95 119.36 125.48 1oum n ILE 206 Ca -0.15 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1oum n ILE 206 Cb 0.52 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1oum n ILE 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1oum n ARG 207 N -0.22 0.00 -3.90 0.38 3.00 -1.26 -5.01 116.66 109.66 1oum n ARG 207 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.55 1oum n ARG 207 Cb 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.47 1oum n ARG 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1oum s THR 208 N 0.00 2.86 0.15 5.15 2.01 -1.26 -5.09 115.64 119.46 1oum s THR 208 Ca 0.00 -3.38 -0.33 0.00 0.31 0.00 0.00 61.69 58.29 1oum s THR 208 Cb 0.00 -2.94 -0.13 0.00 0.01 0.00 0.00 72.50 69.44 1oum s THR 208 CO 0.00 -0.84 1.68 1.57 -0.69 0.00 0.00 174.62 176.34 1oum n HIS 209 N 3.03 2.46 0.00 4.92 -0.00 -1.25 -4.76 115.22 119.61 1oum n HIS 209 Ca 0.07 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1oum n HIS 209 Cb 0.33 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.59 1oum n HIS 209 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1oum n GLU 210 N 4.15 2.38 -3.04 1.57 1.02 -1.26 -4.99 120.64 120.46 1oum n GLU 210 Ca 0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 1oum n GLU 210 Cb 0.32 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.70 1oum n GLU 210 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1oum n GLN 211 N 0.00 0.39 -3.52 3.49 1.13 -1.26 -5.06 117.38 112.55 1oum n GLN 211 Ca 0.00 -2.54 -0.39 0.00 -1.94 0.00 0.00 57.00 52.12 1oum n GLN 211 Cb 0.00 -1.56 -0.10 0.00 0.11 0.00 0.00 30.24 28.69 1oum n GLN 211 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1oum s THR 212 N 0.50 5.26 1.12 5.09 -4.23 -1.26 -5.07 115.64 117.05 1oum s THR 212 Ca 0.31 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1oum s THR 212 Cb 0.02 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.34 1oum s THR 212 CO -0.12 0.08 0.25 0.35 -0.54 0.00 0.00 174.62 174.65 1oum n THR 213 N 5.11 0.00 0.29 3.99 -2.24 -1.26 -4.75 114.28 115.43 1oum n THR 213 Ca -0.12 -0.32 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1oum n THR 213 Cb 0.51 -0.69 0.67 0.00 -2.10 0.00 0.00 70.33 68.71 1oum n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oum h ALA 214 N -2.18 1.00 0.00 6.98 0.00 -2.01 0.81 119.26 123.86 1oum h ALA 214 Ca -0.55 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1oum h ALA 214 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1oum h ALA 214 CO 0.40 0.00 -0.61 0.00 0.00 0.00 0.00 179.25 179.05 1oum h ALA 215 N 2.09 0.65 -0.87 0.00 0.00 -2.03 -3.22 119.26 115.88 1oum h ALA 215 Ca 0.00 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 1oum h ALA 215 Cb 0.22 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 17.70 1oum h ALA 215 CO 0.00 0.69 0.76 0.39 0.00 0.00 0.00 179.25 181.10 1oum n GLU 216 N -3.21 2.47 0.07 0.00 1.02 0.28 -4.14 120.64 117.12 1oum n GLU 216 Ca 0.01 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.29 1oum n GLU 216 Cb 0.76 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1oum n GLU 216 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1oum n ARG 217 N -0.59 0.00 0.32 3.49 5.12 -1.22 -4.73 116.66 119.05 1oum n ARG 217 Ca 0.55 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.67 1oum n ARG 217 Cb 0.63 -0.11 1.04 0.00 -1.16 0.00 0.00 32.46 32.86 1oum n ARG 217 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1oum h GLN 218 N 0.00 0.00 -0.03 5.56 5.75 -1.77 0.33 115.11 124.95 1oum h GLN 218 Ca 0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 1oum h GLN 218 Cb 0.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.56 1oum h GLN 218 CO 0.00 0.01 -0.93 1.79 -2.65 0.00 0.00 178.83 177.05 1oum h THR 219 N 0.00 1.35 0.14 2.39 1.35 -1.88 -1.88 112.91 114.37 1oum h THR 219 Ca -0.00 -2.29 -0.29 0.00 -0.55 0.00 0.00 66.41 63.29 1oum h THR 219 Cb 0.14 2.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1oum h THR 219 CO 0.00 0.70 -1.26 0.74 -0.25 0.00 0.00 175.52 175.45 1oum h THR 220 N 0.33 1.42 -0.76 6.82 2.02 -1.61 -3.00 112.91 118.12 1oum h THR 220 Ca -0.09 -2.84 -0.04 0.00 0.77 0.00 0.00 66.41 64.21 1oum h THR 220 Cb 1.56 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 70.81 1oum h THR 220 CO 0.17 0.84 0.33 -0.26 0.37 0.00 0.00 175.52 176.97 1oum h PHE 221 N 0.13 1.12 -0.46 3.16 0.04 -0.99 -1.26 116.94 118.68 1oum h PHE 221 Ca -0.16 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.49 1oum h PHE 221 Cb 1.96 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.75 1oum h PHE 221 CO 0.08 0.83 0.07 -0.91 -0.60 0.00 0.00 178.31 177.79 1oum h ASN 222 N 1.09 0.67 0.30 2.17 2.35 -1.38 -1.80 115.58 118.99 1oum h ASN 222 Ca 0.26 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1oum h ASN 222 Cb 0.17 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1oum h ASN 222 CO -0.03 0.70 -0.17 0.44 -1.65 0.00 0.00 177.43 176.72 1oum h ASP 223 N 0.68 -0.42 -0.93 5.81 3.45 -1.12 0.00 116.42 123.90 1oum h ASP 223 Ca 0.15 0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.70 1oum h ASP 223 Cb 0.32 0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 39.15 1oum h ASP 223 CO 0.01 -0.28 0.59 -0.03 -1.57 0.00 0.00 179.24 177.95 1oum h MET 224 N -0.45 1.02 -0.52 3.56 4.05 -1.11 0.37 114.93 121.87 1oum h MET 224 Ca -0.03 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 1oum h MET 224 Cb 0.36 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1oum h MET 224 CO 0.05 0.68 0.18 0.82 0.23 0.00 0.00 176.91 178.86 1oum h ILE 225 N 1.05 1.23 -0.54 1.77 2.04 -0.97 -0.81 117.51 121.27 1oum h ILE 225 Ca 0.41 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1oum h ILE 225 Cb 0.20 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1oum h ILE 225 CO -0.18 0.28 0.15 0.11 0.00 0.00 0.00 178.15 178.50 1oum h LYS 226 N 0.70 0.86 -0.13 2.37 1.57 -0.33 -0.92 116.57 120.69 1oum h LYS 226 Ca 0.17 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1oum h LYS 226 Cb 0.25 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1oum h LYS 226 CO -0.01 0.80 -0.11 0.82 -0.57 0.00 0.00 179.45 180.38 1oum h ILE 227 N 0.76 0.69 0.06 1.86 1.08 -0.66 0.28 117.51 121.58 1oum h ILE 227 Ca 0.17 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.66 1oum h ILE 227 Cb 0.32 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1oum h ILE 227 CO -0.00 0.00 -0.19 0.00 -0.69 0.00 0.00 178.15 177.27 1oum h ALA 228 N 0.97 -0.28 -0.49 1.87 0.00 -0.88 0.13 119.26 120.59 1oum h ALA 228 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1oum h ALA 228 Cb 0.25 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1oum h ALA 228 CO -0.20 -0.70 0.19 -0.07 0.00 0.00 0.00 179.25 178.47 1oum h LEU 229 N -0.33 0.67 -1.05 0.00 3.38 -0.78 -2.68 115.31 114.53 1oum h LEU 229 Ca 0.04 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1oum h LEU 229 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1oum h LEU 229 CO -0.13 0.66 -0.35 -0.33 0.09 0.00 0.00 178.44 178.38 1oum h GLU 230 N 0.64 0.24 -0.13 1.13 4.39 -0.32 -2.45 114.58 118.08 1oum h GLU 230 Ca 0.16 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1oum h GLU 230 Cb 0.20 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1oum h GLU 230 CO -0.01 0.56 -0.12 0.66 -1.16 0.00 0.00 179.01 178.93 1oum h SER 231 N 0.21 0.19 -0.47 1.42 4.64 -0.42 -2.04 113.55 117.08 1oum h SER 231 Ca 0.02 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1oum h SER 231 Cb 0.72 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1oum h SER 231 CO 0.05 0.33 -0.05 0.58 -0.87 0.00 0.00 176.83 176.88 1oum h VAL 232 N 0.19 1.27 -0.44 0.95 2.07 -1.13 -1.46 116.25 117.70 1oum h VAL 232 Ca 0.04 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1oum h VAL 232 Cb 0.34 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1oum h VAL 232 CO 0.02 0.40 0.05 -0.07 0.02 0.00 0.00 177.57 177.98 1oum h LEU 233 N 0.71 0.64 -0.58 2.57 3.38 -1.31 -2.08 115.31 118.64 1oum h LEU 233 Ca 0.13 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1oum h LEU 233 Cb 0.58 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1oum h LEU 233 CO 0.03 0.68 -0.22 -0.07 0.09 0.00 0.00 178.44 178.95 1oum h LEU 234 N 0.65 0.92 -1.86 1.67 3.38 -1.16 -2.77 115.31 116.14 1oum h LEU 234 Ca 0.14 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1oum h LEU 234 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1oum h LEU 234 CO 0.01 1.10 -0.09 1.23 0.09 0.00 0.00 178.44 180.78 1oum h GLY 235 N 0.92 0.00 2.00 0.83 0.00 -0.62 -0.72 103.07 105.47 1oum h GLY 235 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1oum h GLY 235 CO 0.06 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.05 1oum h ASP 236 N 0.00 0.00 -0.03 0.19 3.45 -1.11 -3.52 116.42 115.41 1oum h ASP 236 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1oum h ASP 236 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1oum h ASP 236 CO 0.01 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.97